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SCHEMBL23064015

SCHEMBL23064015

CC1(NC(=O)OC(C)(C)C)CCN(c2nc3[nH]nc(-c4cccc(Cl)c4Cl)c3nc2Br)CC1

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ PTPN11 Q06124 12/20 0.48
▸ HDAC3 O15379 6/20 0.44
▸ HDAC4 P56524 6/20 0.44
▸ HDAC1 Q13547 6/20 0.44
▸ HDAC7 Q8WUI4 6/20 0.44
▸ HDAC2 Q92769 6/20 0.44
▸ HDAC10 Q969S8 6/20 0.44
▸ HDAC11 Q96DB2 6/20 0.44
▸ HDAC8 Q9BY41 6/20 0.44
▸ HDAC6 Q9UBN7 6/20 0.44
▸ HDAC9 Q9UKV0 6/20 0.44
▸ HDAC5 Q9UQL6 6/20 0.44
▸ CNR1 P21554 1/20 0.40
▸ CNR2 P34972 1/20 0.40
▸ SCN9A Q15858 1/20 0.38

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL30677193 1.00 PTPN11 (0.48) PTPN11HDAC3HDAC4HDAC1HDAC7
SCHEMBL30809714 1.00 PTPN11 (0.48) PTPN11HDAC3HDAC4HDAC1HDAC7
SCHEMBL30677140 0.90 PTPN11 (0.45) PTPN11HDAC3HDAC4HDAC1HDAC7
SCHEMBL23064023 0.90 PTPN11 (0.45) PTPN11HDAC3HDAC4HDAC1HDAC7
SCHEMBL23064041 0.90 PTPN11 (0.45) PTPN11HDAC3HDAC4HDAC1HDAC7
SCHEMBL29118082 0.90 PTPN11 (0.45) PTPN11HDAC3HDAC4HDAC1HDAC7
SCHEMBL23063912 0.89 PTPN11 (0.45) PTPN11HDAC3HDAC4HDAC1HDAC7
SCHEMBL23100845 0.89 PTPN11 (0.54) PTPN11HDAC3HDAC4HDAC1HDAC7
SCHEMBL23126485 0.89 PTPN11 (0.51) PTPN11HDAC3HDAC4HDAC1HDAC7
SCHEMBL23126468 0.89 PTPN11 (0.51) PTPN11HDAC3HDAC4HDAC1HDAC7

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11932643-B2 Substituted heterocyclic inhibitors of PTPN11 NAVIRE PHARMA, INC. (US) 2024-03-19 — — US disclosed
CN-112351780-B Substituted heterocyclic inhibitors of PTPN11 纳维尔制药有限公司 2023-12-01 — — CN disclosed
US-20210317122-A1 SUBSTITUTED HETEROCYCLIC INHIBITORS OF PTPN11 Cantero Therapeutics, Inc. 2021-10-14 — — US disclosed
US-10954243-B2 Substituted heterocyclic inhibitors of PTPN11 NAVIRE PHARMA, INC. (US) 2021-03-23 — — US disclosed
EP-3787627-A1 SUBSTITUTED HETEROCYCLIC INHIBITORS OF PTPN11 Navire Pharma, Inc. (US) 2021-03-10 — — EP disclosed
CN-112351780-A Substituted heterocyclic inhibitors of PTPN11 纳维尔制药有限公司 2021-02-09 — — CN disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (3 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-10954243-B2 Substituted heterocyclic inhibitors of PTPN11 PTPN11, PTPRJ, PTPRCAP PTPN11 1/4885HDAC3 1462/4885HDAC4 1914/4885
US-11932643-B2 Substituted heterocyclic inhibitors of PTPN11 PTPN11, PTPRJ, PTPRCAP PTPN11 1/4885HDAC3 1462/4885HDAC4 1914/4885
US-20210317122-A1 SUBSTITUTED HETEROCYCLIC INHIBITORS OF PTPN11 PTPN11, PTPRJ, PTPRCAP PTPN11 1/4885HDAC3 1462/4885HDAC4 1914/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.